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87639-35-8 | Benzene, (3-ethynyl-1-hexen-5-ynyl)-
CAS No: 87639-35-8 Catalog No: AG004LDR MDL No:
Product Description
Catalog Number:
AG004LDR
Chemical Name:
Benzene, (3-ethynyl-1-hexen-5-ynyl)-
CAS Number:
87639-35-8
Molecular Formula:
C14H12
Molecular Weight:
180.2451
IUPAC Name:
3-ethynylhex-1-en-5-ynylbenzene
InChI:
InChI=1S/C14H12/c1-3-8-13(4-2)11-12-14-9-6-5-7-10-14/h1-2,5-7,9-13H,8H2
InChI Key:
YDTAXZZWPIZKFK-UHFFFAOYSA-N
SMILES:
C#CCC(C=Cc1ccccc1)C#C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.094g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.25g/mol
Monoisotopic Mass:
180.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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